2008 |
11 | EE | Nathan E. Schultz,
Yan Zhao,
Donald G. Truhlar:
Benchmarking approximate density functional theory for s/d excitation energies in 3d transition metal cations.
Journal of Computational Chemistry 29(2): 185-189 (2008) |
2007 |
10 | EE | Donald G. Truhlar:
Valence bond theory for chemical dynamics.
Journal of Computational Chemistry 28(1): 73-86 (2007) |
2003 |
9 | EE | Jason D. Thompson,
Christopher J. Cramer,
Donald G. Truhlar:
Parameterization of charge model 3 for AM1, PM3, BLYP, and B3LYP.
Journal of Computational Chemistry 24(11): 1291-1304 (2003) |
8 | EE | Mireia Garcia-Viloca,
Cristóbal Alhambra,
Donald G. Truhlar,
Jiali Gao:
Hydride transfer catalyzed by xylose isomerase: Mechanism and quantum effects.
Journal of Computational Chemistry 24(2): 177-190 (2003) |
7 | EE | Carles Curutchet,
Christopher J. Cramer,
Donald G. Truhlar,
Manuel F. Ruiz-López,
Daniel Rinaldi,
Modesto Orozco,
F. Javier Luque:
Electrostatic component of solvation: Comparison of SCRF continuum models.
Journal of Computational Chemistry 24(3): 284-297 (2003) |
2000 |
6 | EE | Derek M. Dolney,
Gregory D. Hawkins,
Paul Winget,
Daniel A. Liotard,
Christopher J. Cramer,
Donald G. Truhlar:
Universal solvation model based on conductor-like screening model.
Journal of Computational Chemistry 21(5): 340-366 (2000) |
1998 |
5 | EE | Susan E. Barrows,
Joey W. Storer,
Christopher J. Cramer,
Alfred D. French,
Donald G. Truhlar:
Factors controlling relative stability of anomers and hydroxymethyl conformers of glucopyranose.
Journal of Computational Chemistry 19(10): 1111-1129 (1998) |
1995 |
4 | | Daniel A. Liotard,
Gregory D. Hawkins,
Gillian C. Lynch,
Christopher J. Cramer,
Donald G. Truhlar:
Improved Methods for Semiempirical Solvation Models.
Journal of Computational Chemistry 16(4): 422-440 (1995) |
3 | | Joey W. Storer,
David J. Giesen,
Christopher J. Cramer,
Donald G. Truhlar:
Class IV charge models: A new semiempirical approach in quantum chemistry.
Journal of Computer-Aided Molecular Design 9(1): 87-110 (1995) |
1992 |
2 | | Christopher J. Cramer,
Donald G. Truhlar:
AM1-SM2 and PM3-SM3 parameterized SCF solvation models for free energies in aqueous solution.
Journal of Computer-Aided Molecular Design 6(6): 629-666 (1992) |
1988 |
1 | EE | David L. Cochrane,
Donald G. Truhlar:
Strategies and performance norms for efficient utilization of vector pipeline computers as illustrated by the classical mechanical simulation of rotationally inelastic collisions.
Parallel Computing 6(1): 63-85 (1988) |